DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3931178_dpp4

Atoms: 360
Models: 9
Best Energy: -9.528 kcal/mol

Binding Energies:
  • Pose 1: -9.528 kcal/mol
  • Pose 2: -8.948 kcal/mol
  • Pose 3: -8.901 kcal/mol
  • Pose 4: -8.835 kcal/mol
  • Pose 5: -8.812 kcal/mol
  • Pose 6: -8.728 kcal/mol
  • Pose 7: -8.694 kcal/mol
  • Pose 8: -8.642 kcal/mol
  • Pose 9: -8.604 kcal/mol
CHEMBL3931178_dpp4
Energy Plot
RMSD Scatter Plot